Heterocyclic compounds bearing pyrimidine, oxazole and pyrazole moieties: design, computational, synthesis, characterization, antibacterial and molecular docking …

M Arshad - SN Applied Sciences, 2020 - Springer
The recent study represented, the computational analysis, synthesis, characterization,
antimicrobial and molecular docking assessment of three compounds with some important …

Synthesis, identification, computer-aided docking studies, and ADMET prediction of novel benzimidazo-1, 2, 3-triazole based molecules as potential antimicrobial …

HRM Rashdan, AH Abdelmonsef, MM Abou-Krisha… - Molecules, 2021 - mdpi.com
2-azido-1 H-benzo [d] imidazole derivatives 1a, b were reacted with a β-ketoester such as
acetylacetone in the presence of sodium ethoxide to obtain the desired molecules 2a, b. The …

Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and …

M Rbaa, A Oubihi, H Hajji, B Tüzün, A Hichar… - Journal of Molecular …, 2021 - Elsevier
The present study aims to first explore the relationship between the chemical structure of the
organic compounds (pyridine based on 8-hydroxyquinoline) and the antibacterial activities …

Synthesis, antibacterial activity and molecular docking studies of new pyrazole derivatives

A Cetin, H Kurt - letters in drug design & discovery, 2020 - ingentaconnect.com
Background: The pyrazole structure is an important heterocyclic structure and plays critical
roles in agriculture, industrial and medicine. Furthermore, compounds containing pyrazole …

Synthesis and Molecular docking studies of some new Pyrazoline derivatives for Antimicrobial properties

MAM Redhwan, G Deka… - Research Journal of …, 2020 - indianjournals.com
Molecular docking is a well-established computational technique which predicts the
interaction energy between two molecules and used for understanding drug-receptor …

Facile synthesis of pyrimidine substituted-1, 3, 4-oxadiazole, 1, 3, 4-thiadiazole and 1, 2, 4-triazole derivatives and their antimicrobial activity correlated with molecular …

M Kalyani, SM Sireesha, GD Reddy… - Journal of Molecular …, 2024 - Elsevier
Organosilicon reagent-trimethylsilyl isothiocyanate, a common reagent for the development
of 1, 3, 4-oxadiazoles, 1, 3, 4-thiadiazoles and 1, 2, 4-triazoles was reported by the reaction …

Ciprofloxacin analogues: drug likeness, biological and molecular docking studies

BH Asghar, M Arshad - Journal of Umm Al-Qura University for Applied …, 2023 - Springer
The search for new antimicrobial agents due to the development of antimicrobial resistance
is one of the greatest points of concern among medicinal chemists. It has been observed that …

A facile synthesis and drug design of some new heterocyclic compounds incorporating pyridine moiety and their antimicrobial evaluation

FM Abdelrazek, SM Gomha… - Letters in Drug …, 2017 - ingentaconnect.com
Background: An efficient synthesis of hitherto unreported 4-heteroarylpyridines was
described via regioselective 1, 3-dipolar cycloaddition reactions of 3-(dimethylamino)-1 …

Synthesis, characterization, and in vitro antibacterial activity of some new pyridinone and pyrazole derivatives with some in silico ADME and molecular modeling study

KE Saadon, NMH Taha, NA Mahmoud… - Journal of the Iranian …, 2022 - Springer
A new series of pyridine-2-one and pyrazole derivatives were designed and synthesized
based on cyanoacrylamide derivatives containing 2, 4-dichlro aniline and 6-methyl 2-amino …

Synthesis, docking, ADMET prediction, cytotoxicity and antimicrobial activity of oxathiadiazole derivatives

M Yadav, R Srivastava, F Naaz, RK Singh - Computational Biology and …, 2018 - Elsevier
A series of molecules bearing oxathiadiazole, a five membered heterocyclic ring has been
designed, synthesized and screened for antimicrobial activity. Molecules, 1a, 1b, 1d, 3a-b …